3-[(4Z)-4-[(5-bromanyl-2-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(5-bromanyl-2-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(5-bromo-2-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(5-bromo-2-propoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H19BrN2O4/c1-3-9-28-19-8-7-16(22)10-15(19)12-18-13(2)23-24(20(18)25)17-6-4-5-14(11-17)21(26)27/h4-8,10-12H,3,9H2,1-2H3,(H,26,27)/b18-12-